16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.103717919887025 stress="0.00028135925503705876 6.603733172209064e-05 6.490837467398789e-05 6.603733172209064e-05 0.00039836424738238195 -5.896685882004827e-06 6.490837467398789e-05 -5.896685882004827e-06 0.000288387301054779" pbc="F F F" Fe 20.85540510 21.11115480 21.11044915 1.11097198 0.78545569 0.89899719 Fe 22.70960170 22.31143450 22.33833517 -1.88135418 3.54812723 2.09038481 Fe 23.64028300 20.83509776 21.11608958 0.55497672 -0.78584890 -0.11404027 Fe 25.27812781 22.51878885 22.32834452 -1.11829797 1.21683469 0.95762872 Fe 20.87679405 23.95894820 21.20259391 1.50673135 -0.99758538 2.30002911 Fe 22.56504129 25.20865944 22.36550211 -2.15376582 2.51493091 3.09317420 Fe 23.78802619 24.22277084 21.18584377 2.84568219 -2.68394440 -1.88591664 Fe 25.68362810 25.69581920 22.64685009 -2.81511804 -2.33855020 0.46978536 Fe 21.26959405 21.17626233 23.91732405 0.85469366 1.98636609 -0.25923497 Fe 22.70996341 22.49207130 25.65300231 0.53681081 1.97048836 -1.57546630 Fe 24.03848316 20.95774659 23.91852158 -0.85174437 1.64161701 -0.57802555 Fe 25.45789336 22.38825682 25.27041603 -1.21772147 1.10774936 -0.93604938 Fe 21.19178619 24.17895518 24.29140871 1.29382870 -2.88391061 -3.24786950 Fe 22.61455359 25.53253581 25.64904689 0.96761484 -2.13934366 -0.58596364 Fe 23.78091226 24.10609294 23.90349439 1.22168070 -2.12904466 0.38334100 Fe 25.30598025 25.32157598 25.51361598 -0.85498910 -0.81334153 -1.01077413